8020-1616 Screening compound: 3-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-(3-methoxypropyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

8020-1616 Screening compound: 3-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-(3-methoxypropyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
8020-1616 Screening compound: 3-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-(3-methoxypropyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1616
3-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-(3-methoxypropyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8020-1616

Molecular Formula

C22H22BrN3O4 (C22 H22 BrN3 O4)

Compound Name

3-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-(3-methoxypropyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

3-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-(3-methoxypropyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

COCCCN(C(c1c2[nH]nc1-c(cc1)ccc1Br)c(cc1)cc(OC)c1O)C2=O

InChI

InChI=1S/C22H22BrN3O4/c1-29-11-3-10-26-21(14-6-9-16(27)17(12-14)30-2)18-19(24-25-20(18)22(26)28)13-4-7-15(23)8-5-13/h4-9,12,21,27H,3,10-11H2,1-2H3,(H,24,25)/t21-/m1/s1

InChI Key

JIGVUOOOLIDASS-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD09663438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.592

Distribution Coefficient, logD

3.582

Water Solubility, LogSw

-3.41

Polar Surface Area

72.909

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

8020-1616 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8020-1616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1616?
Check Price and Availability of 8020-1616, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8020-1616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1616
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8020-1616 available by request